1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine

C12H21FN4 — CID 90783630

IUPAC1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine
SMILESCCNCC(Nc1cncc(C)n1)C(C)(C)F
InChIInChI=1S/C12H21FN4/c1-5-14-7-10(12(3,4)13)17-11-8-15-6-9(2)16-11/h6,8,10,14H,5,7H2,1-4H3,(H,16,17)
InChIKeyHUCWBGDKTOHYDD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.92
Rot. Bonds6

About 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine

1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine (PubChem CID 90783630) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine
PubChem CID90783630
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC Name1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine
SMILESCCNCC(Nc1cncc(C)n1)C(C)(C)F
InChIInChI=1S/C12H21FN4/c1-5-14-7-10(12(3,4)13)17-11-8-15-6-9(2)16-11/h6,8,10,14H,5,7H2,1-4H3,(H,16,17)
InChIKeyHUCWBGDKTOHYDD-UHFFFAOYSA-N
XLogP1.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine (CID 90783630) is 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine is CCNCC(Nc1cncc(C)n1)C(C)(C)F.
What is the InChIKey of 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine?
The InChIKey is HUCWBGDKTOHYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c1-5-14-7-10(12(3,4)13)17-11-8-15-6-9(2)16-11/h6,8,10,14H,5,7H2,1-4H3,(H,16,17).
What are the key properties of 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine?
1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine has a molecular weight of 240.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 90783630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).